C22-H27-N3-O3-S
TL;DR: C22-H27-N3-O3-S (CAS 104946-77-2) is a chemical compound with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,4-dimethylphenyl)iminomethyl-methylamino]sulfanylmethyl]carbamate
Also Known As: Carbamic acid, (((((2,4-dimethylphenyl)imino)methyl)methylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, (2,2-Dimethyl-3H-1-benzofuran-7-yl)n-[[(2,4-dimethylphenyl)iminomethyl-methylamino]sulfanylmethyl]carbamate, CARBAMIC ACID, (((((2,4-DIMETHYLPHENYL)IMINO)METHYL)METHYLAMINO)THIO)METHYL-, 2,, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,4-dimethylphenyl)iminomethyl-methylamino]sulfanylmethyl]carbamate, 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl({[{(e)-[(2,4-dimethylphenyl)imino]methyl}(methyl)amino]sulfanyl}methyl)carbamate
| Molecular Formula | C22H27N3O3S |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.1773 |
| Heavy Atoms | 29 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 104946-77-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N=CN(C)SCNC(=O)OC2=CC=CC3=C2OC(C3)(C)C)C |
| InChIKey | AOXIJYIQHNKSQM-UHFFFAOYSA-N |
Product Overview
C22-H27-N3-O3-S (CAS 104946-77-2), with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,4-dimethylphenyl)iminomethyl-methylamino]sulfanylmethyl]carbamate.
Chemical Property Profile of C22-H27-N3-O3-S
Property Insights of C22-H27-N3-O3-S
The XLogP value of 4.7 indicates that C22-H27-N3-O3-S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for C22-H27-N3-O3-S. Following Lipinski's Rule of Five, C22-H27-N3-O3-S has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22-H27-N3-O3-S?
The CAS number of C22-H27-N3-O3-S is 104946-77-2.
What is the molecular formula of C22-H27-N3-O3-S?
The molecular formula of C22-H27-N3-O3-S is C22H27N3O3S.
What is the molecular weight of C22-H27-N3-O3-S?
The molecular weight of C22-H27-N3-O3-S is 413.18 g/mol.
Where can I buy C22-H27-N3-O3-S?
You can request a quote for C22-H27-N3-O3-S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22-H27-N3-O3-S?
Yes, KEHONG BIO provides custom synthesis services for C22-H27-N3-O3-S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.